1-(4-methylpyrimidin-2-yl)piperazine-2-carboxylic acid;hydrochloride

C10H15ClN4O2 — CID 71639214

IUPAC1-(4-methylpyrimidin-2-yl)piperazine-2-carboxylic acid;hydrochloride
SMILESCc1ccnc(N2CCNCC2C(=O)O)n1.Cl
InChIInChI=1S/C10H14N4O2.ClH/c1-7-2-3-12-10(13-7)14-5-4-11-6-8(14)9(15)16;/h2-3,8,11H,4-6H2,1H3,(H,15,16);1H
InChIKeySMQHJIOSLRDPDS-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.07
Rot. Bonds2

About 1-(4-methylpyrimidin-2-yl)piperazine-2-carboxylic acid;hydrochloride

1-(4-methylpyrimidin-2-yl)piperazine-2-carboxylic acid;hydrochloride (PubChem CID 71639214) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 1-(4-methylpyrimidin-2-yl)piperazine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(4-methylpyrimidin-2-yl)piperazine-2-carboxylic acid;hydrochloride
PubChem CID71639214
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name1-(4-methylpyrimidin-2-yl)piperazine-2-carboxylic acid;hydrochloride
SMILESCc1ccnc(N2CCNCC2C(=O)O)n1.Cl
InChIInChI=1S/C10H14N4O2.ClH/c1-7-2-3-12-10(13-7)14-5-4-11-6-8(14)9(15)16;/h2-3,8,11H,4-6H2,1H3,(H,15,16);1H
InChIKeySMQHJIOSLRDPDS-UHFFFAOYSA-N
XLogP0.07
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpyrimidin-2-yl)piperazine-2-carboxylic acid;hydrochloride?
The IUPAC name of 1-(4-methylpyrimidin-2-yl)piperazine-2-carboxylic acid;hydrochloride (CID 71639214) is 1-(4-methylpyrimidin-2-yl)piperazine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(4-methylpyrimidin-2-yl)piperazine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(4-methylpyrimidin-2-yl)piperazine-2-carboxylic acid;hydrochloride is Cc1ccnc(N2CCNCC2C(=O)O)n1.Cl.
What is the InChIKey of 1-(4-methylpyrimidin-2-yl)piperazine-2-carboxylic acid;hydrochloride?
The InChIKey is SMQHJIOSLRDPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2.ClH/c1-7-2-3-12-10(13-7)14-5-4-11-6-8(14)9(15)16;/h2-3,8,11H,4-6H2,1H3,(H,15,16);1H.
What are the key properties of 1-(4-methylpyrimidin-2-yl)piperazine-2-carboxylic acid;hydrochloride?
1-(4-methylpyrimidin-2-yl)piperazine-2-carboxylic acid;hydrochloride has a molecular weight of 258.71 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpyrimidin-2-yl)piperazine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 71639214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).